W danych znajdowało się bardzo dużo wartości NA. W obliczeniach w zależności co było liczone zostały one zamienione lub pominięte - szczególnie podczas obliczania korelacji (sposob obsługi wartości NA podczas obliczania korelacji został opisany w punkcie 5).
Zauważono także, że kolumny fo_col fc_col zawierają tylko 1 wartość. Powinny one zostać usunięte ze zbioru przy próbie utworzenia klasyfikatora.
Podczas rysowania wykresów dla kolumn zaczynających się od part_01 zauważono, że dużo wartości jest skupionych w okolicy zera.
Została podjęta próba wykonania klasyfikatora, ale niestety nie zakończyła się powodzeniem. W ostatnim punkcie zostały opisane podjęte kroki, które zostały podjęte oraz napotkane blędy.
library(knitr)
library(ggplot2)
library(dplyr)
library(ggExtra)
library(caret)
library(corrplot)
library(plotly)
Wczytanie danych z pliku.
rawData <- data.table::fread("all_summary.csv", header="auto",sep="auto")
## Warning in data.table::fread("all_summary.csv", header = "auto", sep
## = "auto"): Bumped column 6 to type character on data row 13920, field
## contains '260G'. Coercing previously read values in this column from
## logical, integer or numeric back to character which may not be lossless;
## e.g., if '00' and '000' occurred before they will now be just '0', and
## there may be inconsistencies with treatment of ',,' and ',NA,' too (if they
## occurred in this column before the bump). If this matters please rerun and
## set 'colClasses' to 'character' for this column. Please note that column
## type detection uses a sample of 1,000 rows (100 rows at 10 points) so
## hopefully this message should be very rare. If reporting to datatable-help,
## please rerun and include the output from verbose=TRUE.
Załadowano 591042 wierszy, które mają 412 zmiennych.
Usuwanie z danych wiersze posiadające wartość zmiennej res_name równą: “UNK”, “UNX”, “UNL”, “DUM”, “N”, “BLOB”, “ALA”, “ARG” ,“ASN”, “ASP”, “CYS”, “GLN”, “GLU”, “GLY”, “HIS”, “ILE”, “LEU”, “LYS”, “MET”, “MSE”, “PHE”, “PRO”, “SEC”, “SER”, “THR”, “TRP”, “TYR”, “VAL”, “DA”, “DG”, “DT”, “DC”, “DU”, “A”, “G”, “T”, “C”, “U”, “HOH”, “H20”, “WAT” lub “NAN
nrow(rawData)
## [1] 591042
popular <- rawData[ , .N, by = res_name]
popular <- popular[order(-N)]
popular <- popular[1:50]
pop_names <- popular$res_name
rawData <- select(filter(rawData, res_name %in% pop_names),matches("*"))
nrow(rawData)
## [1] 382720
selectedData <- selectedData <- rawData %>% filter(!(res_name %in% c("UNK", "UNX", "UNL", "DUM", "N", "BLOB", "ALA", "ARG" ,"ASN", "ASP", "CYS", "GLN", "GLU", "GLY", "HIS", "ILE", "LEU", "LYS", "MET", "MSE", "PHE", "PRO", "SEC", "SER", "THR", "TRP", "TYR", "VAL", "DA", "DG", "DT", "DC", "DU", "A", "G", "T", "C", "U", "HOH", "H20", "WAT", "NAN")))
pdb_code_res_name <- selectedData
| blob_coverage | res_coverage | title | pdb_code | res_name | res_id | chain_id | blob_volume_coverage | blob_volume_coverage_second | res_volume_coverage | res_volume_coverage_second | local_res_atom_count | local_res_atom_non_h_count | local_res_atom_non_h_occupancy_sum | local_res_atom_non_h_electron_sum | local_res_atom_non_h_electron_occupancy_sum | local_res_atom_C_count | local_res_atom_N_count | local_res_atom_O_count | local_res_atom_S_count | dict_atom_non_h_count | dict_atom_non_h_electron_sum | dict_atom_C_count | dict_atom_N_count | dict_atom_O_count | dict_atom_S_count | skeleton_data | skeleton_cycle_4 | skeleton_diameter | skeleton_cycle_6 | skeleton_cycle_7 | skeleton_closeness_006_008 | skeleton_closeness_002_004 | skeleton_cycle_3 | skeleton_avg_degree | skeleton_closeness_004_006 | skeleton_closeness_010_012 | skeleton_closeness_012_014 | skeleton_edges | skeleton_radius | skeleton_cycle_8_plus | skeleton_closeness_020_030 | skeleton_deg_5_plus | skeleton_closeness_016_018 | skeleton_closeness_008_010 | skeleton_closeness_018_020 | skeleton_average_clustering | skeleton_closeness_040_050 | skeleton_closeness_014_016 | skeleton_center | skeleton_closeness_000_002 | skeleton_density | skeleton_closeness_030_040 | skeleton_deg_4 | skeleton_deg_0 | skeleton_deg_1 | skeleton_deg_2 | skeleton_deg_3 | skeleton_graph_clique_number | skeleton_nodes | skeleton_cycles | skeleton_cycle_5 | skeleton_closeness_050_plus | skeleton_periphery | local_volume | local_electrons | local_mean | local_std | local_min | local_max | local_max_over_std | local_skewness | local_cut_by_mainchain_volume | local_near_cut_count_C | local_near_cut_count_other | local_near_cut_count_S | local_near_cut_count_O | local_near_cut_count_N | part_00_shape_segments_count | part_00_density_segments_count | part_00_volume | part_00_electrons | part_00_mean | part_00_std | part_00_max | part_00_max_over_std | part_00_skewness | part_00_parts | part_00_shape_O3 | part_00_shape_O4 | part_00_shape_O5 | part_00_shape_FL | part_00_shape_O3_norm | part_00_shape_O4_norm | part_00_shape_O5_norm | part_00_shape_FL_norm | part_00_shape_I1 | part_00_shape_I2 | part_00_shape_I3 | part_00_shape_I4 | part_00_shape_I5 | part_00_shape_I6 | part_00_shape_I1_norm | part_00_shape_I2_norm | part_00_shape_I3_norm | part_00_shape_I4_norm | part_00_shape_I5_norm | part_00_shape_I6_norm | part_00_shape_M000 | part_00_shape_CI | part_00_shape_E3_E1 | part_00_shape_E2_E1 | part_00_shape_E3_E2 | part_00_shape_sqrt_E1 | part_00_shape_sqrt_E2 | part_00_shape_sqrt_E3 | part_00_density_O3 | part_00_density_O4 | part_00_density_O5 | part_00_density_FL | part_00_density_O3_norm | part_00_density_O4_norm | part_00_density_O5_norm | part_00_density_FL_norm | part_00_density_I1 | part_00_density_I2 | part_00_density_I3 | part_00_density_I4 | part_00_density_I5 | part_00_density_I6 | part_00_density_I1_norm | part_00_density_I2_norm | part_00_density_I3_norm | part_00_density_I4_norm | part_00_density_I5_norm | part_00_density_I6_norm | part_00_density_M000 | part_00_density_CI | part_00_density_E3_E1 | part_00_density_E2_E1 | part_00_density_E3_E2 | part_00_density_sqrt_E1 | part_00_density_sqrt_E2 | part_00_density_sqrt_E3 | part_00_shape_Z_7_3 | part_00_shape_Z_0_0 | part_00_shape_Z_7_0 | part_00_shape_Z_7_1 | part_00_shape_Z_3_0 | part_00_shape_Z_5_2 | part_00_shape_Z_6_1 | part_00_shape_Z_3_1 | part_00_shape_Z_6_0 | part_00_shape_Z_2_1 | part_00_shape_Z_6_3 | part_00_shape_Z_2_0 | part_00_shape_Z_6_2 | part_00_shape_Z_5_0 | part_00_shape_Z_5_1 | part_00_shape_Z_4_2 | part_00_shape_Z_1_0 | part_00_shape_Z_4_1 | part_00_shape_Z_7_2 | part_00_shape_Z_4_0 | part_00_density_Z_7_3 | part_00_density_Z_0_0 | part_00_density_Z_7_0 | part_00_density_Z_7_1 | part_00_density_Z_3_0 | part_00_density_Z_5_2 | part_00_density_Z_6_1 | part_00_density_Z_3_1 | part_00_density_Z_6_0 | part_00_density_Z_2_1 | part_00_density_Z_6_3 | part_00_density_Z_2_0 | part_00_density_Z_6_2 | part_00_density_Z_5_0 | part_00_density_Z_5_1 | part_00_density_Z_4_2 | part_00_density_Z_1_0 | part_00_density_Z_4_1 | part_00_density_Z_7_2 | part_00_density_Z_4_0 | part_01_shape_segments_count | part_01_density_segments_count | part_01_volume | part_01_electrons | part_01_mean | part_01_std | part_01_max | part_01_max_over_std | part_01_skewness | part_01_parts | part_01_shape_O3 | part_01_shape_O4 | part_01_shape_O5 | part_01_shape_FL | part_01_shape_O3_norm | part_01_shape_O4_norm | part_01_shape_O5_norm | part_01_shape_FL_norm | part_01_shape_I1 | part_01_shape_I2 | part_01_shape_I3 | part_01_shape_I4 | part_01_shape_I5 | part_01_shape_I6 | part_01_shape_I1_norm | part_01_shape_I2_norm | part_01_shape_I3_norm | part_01_shape_I4_norm | part_01_shape_I5_norm | part_01_shape_I6_norm | part_01_shape_M000 | part_01_shape_CI | part_01_shape_E3_E1 | part_01_shape_E2_E1 | part_01_shape_E3_E2 | part_01_shape_sqrt_E1 | part_01_shape_sqrt_E2 | part_01_shape_sqrt_E3 | part_01_density_O3 | part_01_density_O4 | part_01_density_O5 | part_01_density_FL | part_01_density_O3_norm | part_01_density_O4_norm | part_01_density_O5_norm | part_01_density_FL_norm | part_01_density_I1 | part_01_density_I2 | part_01_density_I3 | part_01_density_I4 | part_01_density_I5 | part_01_density_I6 | part_01_density_I1_norm | part_01_density_I2_norm | part_01_density_I3_norm | part_01_density_I4_norm | part_01_density_I5_norm | part_01_density_I6_norm | part_01_density_M000 | part_01_density_CI | part_01_density_E3_E1 | part_01_density_E2_E1 | part_01_density_E3_E2 | part_01_density_sqrt_E1 | part_01_density_sqrt_E2 | part_01_density_sqrt_E3 | part_01_shape_Z_7_3 | part_01_shape_Z_0_0 | part_01_shape_Z_7_0 | part_01_shape_Z_7_1 | part_01_shape_Z_3_0 | part_01_shape_Z_5_2 | part_01_shape_Z_6_1 | part_01_shape_Z_3_1 | part_01_shape_Z_6_0 | part_01_shape_Z_2_1 | part_01_shape_Z_6_3 | part_01_shape_Z_2_0 | part_01_shape_Z_6_2 | part_01_shape_Z_5_0 | part_01_shape_Z_5_1 | part_01_shape_Z_4_2 | part_01_shape_Z_1_0 | part_01_shape_Z_4_1 | part_01_shape_Z_7_2 | part_01_shape_Z_4_0 | part_01_density_Z_7_3 | part_01_density_Z_0_0 | part_01_density_Z_7_0 | part_01_density_Z_7_1 | part_01_density_Z_3_0 | part_01_density_Z_5_2 | part_01_density_Z_6_1 | part_01_density_Z_3_1 | part_01_density_Z_6_0 | part_01_density_Z_2_1 | part_01_density_Z_6_3 | part_01_density_Z_2_0 | part_01_density_Z_6_2 | part_01_density_Z_5_0 | part_01_density_Z_5_1 | part_01_density_Z_4_2 | part_01_density_Z_1_0 | part_01_density_Z_4_1 | part_01_density_Z_7_2 | part_01_density_Z_4_0 | part_02_shape_segments_count | part_02_density_segments_count | part_02_volume | part_02_electrons | part_02_mean | part_02_std | part_02_max | part_02_max_over_std | part_02_skewness | part_02_parts | part_02_shape_O3 | part_02_shape_O4 | part_02_shape_O5 | part_02_shape_FL | part_02_shape_O3_norm | part_02_shape_O4_norm | part_02_shape_O5_norm | part_02_shape_FL_norm | part_02_shape_I1 | part_02_shape_I2 | part_02_shape_I3 | part_02_shape_I4 | part_02_shape_I5 | part_02_shape_I6 | part_02_shape_I1_norm | part_02_shape_I2_norm | part_02_shape_I3_norm | part_02_shape_I4_norm | part_02_shape_I5_norm | part_02_shape_I6_norm | part_02_shape_M000 | part_02_shape_CI | part_02_shape_E3_E1 | part_02_shape_E2_E1 | part_02_shape_E3_E2 | part_02_shape_sqrt_E1 | part_02_shape_sqrt_E2 | part_02_shape_sqrt_E3 | part_02_density_O3 | part_02_density_O4 | part_02_density_O5 | part_02_density_FL | part_02_density_O3_norm | part_02_density_O4_norm | part_02_density_O5_norm | part_02_density_FL_norm | part_02_density_I1 | part_02_density_I2 | part_02_density_I3 | part_02_density_I4 | part_02_density_I5 | part_02_density_I6 | part_02_density_I1_norm | part_02_density_I2_norm | part_02_density_I3_norm | part_02_density_I4_norm | part_02_density_I5_norm | part_02_density_I6_norm | part_02_density_M000 | part_02_density_CI | part_02_density_E3_E1 | part_02_density_E2_E1 | part_02_density_E3_E2 | part_02_density_sqrt_E1 | part_02_density_sqrt_E2 | part_02_density_sqrt_E3 | part_02_shape_Z_7_3 | part_02_shape_Z_0_0 | part_02_shape_Z_7_0 | part_02_shape_Z_7_1 | part_02_shape_Z_3_0 | part_02_shape_Z_5_2 | part_02_shape_Z_6_1 | part_02_shape_Z_3_1 | part_02_shape_Z_6_0 | part_02_shape_Z_2_1 | part_02_shape_Z_6_3 | part_02_shape_Z_2_0 | part_02_shape_Z_6_2 | part_02_shape_Z_5_0 | part_02_shape_Z_5_1 | part_02_shape_Z_4_2 | part_02_shape_Z_1_0 | part_02_shape_Z_4_1 | part_02_shape_Z_7_2 | part_02_shape_Z_4_0 | part_02_density_Z_7_3 | part_02_density_Z_0_0 | part_02_density_Z_7_0 | part_02_density_Z_7_1 | part_02_density_Z_3_0 | part_02_density_Z_5_2 | part_02_density_Z_6_1 | part_02_density_Z_3_1 | part_02_density_Z_6_0 | part_02_density_Z_2_1 | part_02_density_Z_6_3 | part_02_density_Z_2_0 | part_02_density_Z_6_2 | part_02_density_Z_5_0 | part_02_density_Z_5_1 | part_02_density_Z_4_2 | part_02_density_Z_1_0 | part_02_density_Z_4_1 | part_02_density_Z_7_2 | part_02_density_Z_4_0 | fo_col | fc_col | weight_col | grid_space | solvent_radius | solvent_opening_radius | resolution_max_limit | resolution | FoFc_mean | FoFc_std | FoFc_square_std | FoFc_min | FoFc_max | part_step_FoFc_std_min | part_step_FoFc_std_max | part_step_FoFc_std_step | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Length:382720 | Length:382720 | Length:382720 | Length:382720 | Length:382720 | Length:382720 | Length:382720 | Min. :0.02004 | Min. :0.00000 | Min. :0.001884 | Min. :0.0000 | Min. : 1.000 | Min. : 1.000 | Min. : 0.000 | Min. : 6.00 | Min. : 0.00 | Min. : 0.000 | Min. :0.0000 | Min. : 0.000 | Min. :0.0000 | Min. : 1.000 | Min. : 6.00 | Min. : 0.000 | Min. :0.0000 | Min. : 0.000 | Min. :0.0000 | Length:382720 | Min. : 0.0000 | Min. : 0.00 | Min. : 0.00000 | Min. : 0.00000 | Min. : 0.00 | Min. : 0.0000 | Min. : 0.0000 | Min. :0.000 | Min. : 0.0000 | Min. : 0.000 | Min. : 0.000 | Min. : 0.0 | Min. : 0.000 | Min. : 0.000 | Min. : 0.000 | Min. : 0.0000 | Min. : 0.00 | Min. : 0.000 | Min. : 0.0000 | Min. :0.0000000 | Min. : 0.000 | Min. : 0.000 | Min. : 1.000 | Min. : 0.0000 | Min. :0.00000 | Min. : 0.000 | Min. : 0.00000 | Min. :0.0000 | Min. : 0.000 | Min. : 0.00 | Min. : 0.000 | Min. :1.000 | Min. : 1.00 | Min. : 0.0000 | Min. : 0.00000 | Min. : 0.000 | Min. : 1.000 | Min. : 49.25 | Min. : 0.0117 | Min. :0.0001147 | Min. :0.0006606 | Min. :0 | Min. : 0.00452 | Min. : 2.836 | Min. :0.001174 | Min. : 0.0000 | Min. : 0.000 | Min. :0.00000 | Min. :0.0000 | Min. : 0.000 | Min. : 0.000 | Min. : 0 | Min. : 0 | Min. : 0.00 | Min. : 0.000 | Min. :0.0000 | Min. :0.00000 | Min. : 0.0000 | Min. : 0.000 | Min. :0.0000 | Min. : 0.000 | Min. : 121 | Min. :3.807e+03 | Min. :3.378e+04 | Min. :7.600e+01 | Min. :0.2306 | Min. :0.01761 | Min. :0.000426 | Min. : 0.00000 | Min. :5.290e+02 | Min. :5.694e+04 | Min. :1.209e+05 | Min. :4.200e+01 | Min. :6.000e+00 | Min. :2.863e+04 | Min. : 0.06323 | Min. : 0.00105 | Min. : 0.001 | Min. : 0.00000 | Min. : 0.00000 | Min. : 0.0049 | Min. : 38 | Min. :-75.57045 | Min. :0.003027 | Min. :0.006467 | Min. :0.01144 | Min. : 1.188 | Min. : 0.7389 | Min. : 0.5959 | Min. : 10 | Min. :2.400e+01 | Min. :1.700e+01 | Min. :-3.000e+00 | Min. : 0.03559 | Min. : 0.000421 | Min. : 0.000002 | Min. : -0.0348 | Min. :4.200e+01 | Min. :3.630e+02 | Min. :7.750e+02 | Min. :-1.000e+00 | Min. :0.000e+00 | Min. :1.830e+02 | Min. : 0.0017 | Min. : 0.000 | Min. : 0.0 | Min. : -0.0116 | Min. : 0.0000 | Min. : 0.000 | Min. : 1.86 | Min. :-92.07037 | Min. :0.003038 | Min. :0.006444 | Min. :0.01305 | Min. : 1.186 | Min. : 0.7382 | Min. : 0.5955 | Min. : 6.303 | Min. : 3.012 | Min. : 0.6818 | Min. : 3.773 | Min. : 0.5036 | Min. : 4.58 | Min. : 1.808 | Min. : 2.506 | Min. : 0.02436 | Min. : 2.749 | Min. : 4.114 | Min. : 1.323 | Min. : 2.941 | Min. : 0.8831 | Min. : 3.464 | Min. : 3.537 | Min. :0.7968 | Min. : 2.132 | Min. : 5.955 | Min. : 0.02276 | Min. : 4.516 | Min. : 0.6671 | Min. : 0.9849 | Min. : 3.582 | Min. : 0.4221 | Min. : 3.425 | Min. : 0.4344 | Min. : 2.048 | Min. : 0.00707 | Min. : 0.7737 | Min. : 0.5449 | Min. : 0.5111 | Min. : 0.4772 | Min. : 0.9804 | Min. : 2.393 | Min. : 0.5863 | Min. :0.6768 | Min. : 0.4739 | Min. : 4.379 | Min. : 0.00739 | Min. : 0.0 | Min. : 0.0 | Min. : 0.000 | Min. : 0.000 | Min. :0.0000 | Min. :0.0000 | Min. : 0.0000 | Min. : 0.000 | Min. :0.00000 | Min. : 0.000 | Min. : 76 | Min. :1.829e+03 | Min. :1.363e+04 | Min. :0.000e+00 | Min. : 0.227 | Min. : 0.017 | Min. :0.000 | Min. : 0.000 | Min. :2.160e+02 | Min. :1.122e+04 | Min. :1.104e+04 | Min. :0.000e+00 | Min. :0.000e+00 | Min. :5.777e+03 | Min. : 0.061 | Min. : 0.001 | Min. : 0.00 | Min. : 0.000 | Min. : 0.000 | Min. : 0.005 | Min. : 32 | Min. :-99.106 | Min. :0.003 | Min. :0.004 | Min. :0.009 | Min. : 0.978 | Min. : 0.528 | Min. : 0.303 | Min. : 3 | Min. :2.000e+00 | Min. :1.000e+00 | Min. :-2.000e+01 | Min. : 0.035 | Min. : 0.000 | Min. : 0.000 | Min. : -0.007 | Min. :1.800e+01 | Min. :7.500e+01 | Min. :7.500e+01 | Min. :-5.000e+00 | Min. :0.000e+00 | Min. :1.600e+01 | Min. : 0.002 | Min. : 0.00 | Min. : 0.0 | Min. : -0.002 | Min. : 0.000 | Min. : 0.00 | Min. : 0.467 | Min. :-116.143 | Min. :0.003 | Min. :0.004 | Min. :0.010 | Min. : 0.976 | Min. : 0.527 | Min. : 0.303 | Min. : 6.02 | Min. : 2.764 | Min. : 0.706 | Min. : 3.683 | Min. : 0.628 | Min. : 4.437 | Min. : 0.794 | Min. : 2.476 | Min. : 0.008 | Min. : 1.713 | Min. : 3.452 | Min. : 0.052 | Min. : 2.461 | Min. : 0.773 | Min. : 2.693 | Min. : 2.234 | Min. :0.715 | Min. : 1.138 | Min. : 4.971 | Min. : 0.000 | Min. : 5.049 | Min. : 0.334 | Min. : 0.620 | Min. : 3.423 | Min. : 0.553 | Min. : 3.652 | Min. : 0.196 | Min. : 2.480 | Min. : 0.011 | Min. : 0.356 | Min. : 0.361 | Min. : 0.051 | Min. : 0.266 | Min. : 0.788 | Min. : 2.319 | Min. : 0.270 | Min. :0.641 | Min. : 0.195 | Min. : 3.960 | Min. : 0.005 | Min. : 0.0 | Min. : 0.0 | Min. : 0.000 | Min. : 0.000 | Min. :0.0000 | Min. :0.00000 | Min. : 0.0000 | Min. : 0.000 | Min. :0.00000 | Min. : 0.000 | Min. : 72 | Min. :1.728e+03 | Min. :1.274e+04 | Min. :-2.300e+01 | Min. : 0.223 | Min. : 0.017 | Min. :0.000 | Min. : 0.000 | Min. :1.860e+02 | Min. :9.312e+03 | Min. :7.092e+03 | Min. :-8.000e+00 | Min. :0.000e+00 | Min. :4.464e+03 | Min. : 0.057 | Min. : 0.001 | Min. : 0.00 | Min. : 0.000 | Min. : 0.000 | Min. : 0.004 | Min. 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0.002 | Median :7.028e+05 | Median :7.480e+10 | Median :1.733e+11 | Median : 1.357e+08 | Median :2.332e+07 | Median :5.078e+09 | Median : 0.257 | Median : 0.01 | Median : 0 | Median : 0.001 | Median : 0.000 | Median : 0.05 | Median : 565.419 | Median : 0.000 | Median :0.294 | Median :0.495 | Median :0.676 | Median : 3.720 | Median : 2.519 | Median : 2.000 | Median : 15.19 | Median : 14.337 | Median : 7.597 | Median : 10.293 | Median : 5.989 | Median : 14.354 | Median : 11.607 | Median : 11.543 | Median : 5.879 | Median : 18.48 | Median : 17.776 | Median : 13.647 | Median : 15.499 | Median : 6.468 | Median : 11.208 | Median : 17.682 | Median :1.676 | Median : 14.432 | Median : 12.957 | Median : 7.817 | Median : 11.734 | Median :11.618 | Median : 7.253 | Median : 8.846 | Median : 5.135 | Median : 11.064 | Median : 8.026 | Median : 8.665 | Median : 4.167 | Median : 15.494 | Median : 12.970 | Median :11.958 | Median : 11.292 | Median : 6.279 | Median : 9.060 | Median : 14.786 | Median 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| NA | NA | NA | NA | NA | NA | NA | Mean :0.64142 | Mean :0.02088 | Mean :0.543995 | Mean :0.0656 | Mean : 9.516 | Mean : 9.333 | Mean : 9.075 | Mean : 72.79 | Mean : 70.21 | Mean : 4.734 | Mean :0.7807 | Mean : 3.059 | Mean :0.2038 | Mean : 9.569 | Mean : 74.46 | Mean : 4.837 | Mean :0.7874 | Mean : 3.175 | Mean :0.2043 | NA | Mean : 0.3318 | Mean : 18.37 | Mean : 0.01249 | Mean : 0.00463 | Mean : 2.29 | Mean : 0.0415 | Mean : 0.0617 | Mean :1.473 | Mean : 0.7894 | Mean : 2.498 | Mean : 2.176 | Mean : 27.1 | Mean : 9.459 | Mean : 0.184 | Mean : 3.019 | Mean : 0.1737 | Mean : 1.32 | Mean : 2.767 | Mean : 0.9514 | Mean :0.0001213 | Mean : 1.715 | Mean : 1.837 | Mean : 1.551 | Mean : 0.1427 | Mean :0.25575 | Mean : 2.131 | Mean : 0.09337 | Mean :0.1423 | Mean : 2.774 | Mean : 22.82 | Mean : 1.458 | Mean :1.863 | Mean : 27.46 | Mean : 0.6401 | Mean : 0.04555 | Mean : 5.786 | Mean : 1.952 | Mean : 684.13 | Mean : 14.4683 | Mean :0.0244559 | Mean :0.1270364 | Mean :0 | Mean : 1.37296 | Mean : 9.860 | Mean :0.230616 | Mean : 0.3671 | Mean : 3.837 | Mean :0.01148 | Mean :0.1327 | Mean : 1.964 | Mean : 1.975 | Mean : 260 | Mean : 260 | Mean : 26.55 | Mean : 14.268 | Mean :0.6168 | Mean :0.22173 | Mean : 1.3729 | Mean : 9.860 | Mean :0.2245 | Mean : 1.062 | Mean : 1277549 | Mean :5.860e+12 | Mean :2.732e+19 | Mean :9.655e+15 | Mean :0.4327 | Mean :0.05022 | Mean :0.001522 | Mean : 0.03514 | Mean :1.696e+09 | Mean :2.713e+19 | Mean :3.280e+20 | Mean :6.144e+15 | Mean :3.804e+15 | Mean :6.401e+16 | Mean : 0.40393 | Mean : 0.05688 | Mean : 0.468 | Mean : 0.02364 | Mean : 0.01597 | Mean : 0.2053 | Mean : 3319 | Mean : 0.03030 | Mean :0.285613 | Mean :0.461912 | Mean :0.59457 | Mean : 6.839 | Mean : 3.9813 | Mean : 2.7714 | Mean : 609058 | Mean :1.038e+12 | Mean :7.346e+17 | Mean : 1.130e+15 | Mean : 0.65106 | Mean : 0.122224 | Mean : 0.006605 | Mean : 0.1860 | Mean :7.678e+08 | Mean :2.365e+18 | Mean :2.366e+19 | Mean : 6.933e+14 | Mean :4.020e+14 | Mean :7.861e+15 | Mean : 1.0737 | Mean : 0.477 | Mean : 6.0 | Mean : 0.1396 | Mean : 0.1087 | Mean : 0.999 | Mean : 1783.49 | Mean : 0.02759 | Mean :0.290643 | Mean :0.464089 | Mean :0.59862 | Mean : 6.505 | Mean : 3.7516 | Mean : 2.6087 | Mean : 33.914 | Mean : 23.442 | Mean : 14.3175 | Mean : 23.165 | Mean : 12.7456 | Mean : 29.49 | Mean : 26.331 | Mean : 21.004 | Mean : 12.87398 | Mean : 33.348 | Mean : 38.714 | Mean : 24.864 | Mean : 34.833 | Mean : 15.1321 | Mean : 24.288 | Mean : 36.994 | Mean :1.4671 | Mean : 31.722 | Mean : 29.979 | Mean : 17.73802 | Mean : 24.857 | Mean : 17.1626 | Mean : 12.5041 | Mean : 18.332 | Mean : 9.5320 | Mean : 21.402 | Mean : 20.4109 | Mean : 14.739 | Mean : 11.07233 | Mean : 24.6043 | Mean : 28.2328 | Mean : 19.3824 | Mean : 25.9175 | Mean : 12.4764 | Mean : 18.340 | Mean : 27.3274 | Mean :1.4581 | Mean : 24.1988 | Mean : 22.581 | Mean : 15.10761 | Mean : 215.4 | Mean : 215.4 | Mean : 20.186 | Mean : 12.262 | Mean :0.6695 | Mean :0.2108 | Mean : 1.3703 | Mean : 9.830 | Mean :0.21041 | Mean : 1.223 | Mean : 957397 | Mean :3.245e+12 | Mean :8.300e+18 | Mean :5.146e+15 | Mean : 0.459 | Mean : 0.057 | Mean :0.002 | Mean : 0.088 | Mean :1.259e+09 | Mean :1.238e+19 | Mean :1.396e+20 | Mean :3.291e+15 | Mean :2.054e+15 | Mean :3.290e+16 | Mean : 0.533 | Mean : 0.148 | Mean : 1.80 | Mean : 0.072 | Mean : 0.062 | Mean : 0.414 | Mean : 2546 | Mean : 0.024 | Mean :0.299 | Mean :0.468 | Mean :0.609 | Mean : 6.254 | Mean : 3.587 | Mean : 2.503 | Mean : 513570 | Mean :7.670e+11 | Mean :4.406e+17 | Mean : 8.386e+14 | Mean : 0.655 | Mean : 0.125 | Mean : 0.007 | Mean : 0.576 | Mean :6.451e+08 | Mean :1.625e+18 | Mean :1.606e+19 | Mean : 5.241e+14 | Mean :3.145e+14 | Mean :5.818e+15 | Mean : 1.318 | Mean : 1.46 | Mean : 35.7 | Mean : 0.535 | Mean : 0.507 | Mean : 2.24 | Mean : 1546.480 | Mean : 0.019 | Mean :0.304 | Mean :0.471 | Mean :0.612 | Mean : 5.976 | Mean : 3.400 | Mean : 2.373 | Mean : 29.18 | Mean : 20.019 | Mean : 13.144 | Mean : 20.244 | Mean : 11.180 | Mean : 25.094 | Mean : 22.366 | Mean : 18.078 | Mean : 11.264 | Mean : 28.179 | Mean : 32.889 | Mean : 20.845 | Mean : 29.415 | Mean : 13.396 | Mean : 20.586 | Mean : 31.072 | Mean :1.588 | Mean : 26.390 | Mean : 25.696 | Mean : 14.848 | Mean : 22.714 | Mean :15.548 | Mean : 11.963 | Mean : 16.902 | Mean : 8.910 | Mean : 19.413 | Mean : 17.941 | Mean : 13.566 | Mean : 9.851 | Mean : 22.056 | Mean : 25.119 | Mean : 17.232 | Mean : 22.860 | Mean : 11.615 | Mean : 16.562 | Mean : 24.121 | Mean :1.581 | Mean : 21.102 | Mean : 20.542 | Mean : 13.051 | Mean : 179.3 | Mean : 179.3 | Mean : 15.463 | Mean : 10.493 | Mean :0.6990 | Mean :0.19916 | Mean : 1.3469 | Mean : 9.627 | Mean :0.19647 | Mean : 1.224 | Mean : 755148 | Mean :1.982e+12 | Mean :3.442e+18 | Mean : 2.992e+15 | Mean : 0.479 | Mean : 0.065 | Mean :0.002 | Mean : 0.205 | Mean :9.821e+08 | Mean :6.317e+18 | Mean :6.832e+19 | Mean : 1.900e+15 | Mean :1.171e+15 | Mean :1.913e+16 | Mean : 0.692 | Mean : 0.372 | Mean : 6.64 | Mean : 0.183 | Mean : 0.169 | Mean : 0.826 | Mean : 2062 | Mean : 0.012 | Mean :0.320 | Mean :0.484 | Mean :0.626 | Mean : 5.824 | Mean : 3.320 | Mean : 2.329 | Mean : 448462 | Mean :5.838e+11 | Mean :2.781e+17 | Mean : 6.450e+14 | Mean : 0.641 | Mean : 0.124 | Mean : 0.007 | Mean : 1.117 | Mean :5.603e+08 | Mean :1.165e+18 | Mean :1.178e+19 | Mean : 4.123e+14 | Mean :2.571e+14 | Mean :4.482e+15 | Mean : 1.537 | Mean : 4.24 | Mean : 87 | Mean : 1.076 | Mean : 1.049 | Mean : 3.89 | Mean : 1399.102 | Mean : 0.004 | Mean :0.324 | Mean :0.487 | Mean :0.629 | Mean : 5.578 | Mean : 3.159 | Mean : 2.218 | Mean : 26.07 | Mean : 17.729 | Mean : 12.464 | Mean : 18.410 | Mean : 10.116 | Mean : 22.172 | Mean : 19.521 | Mean : 16.082 | Mean : 10.032 | Mean : 24.61 | Mean : 28.762 | Mean : 18.084 | Mean : 25.584 | Mean : 12.276 | Mean : 18.189 | Mean : 26.912 | Mean :1.713 | Mean : 22.658 | Mean : 22.942 | Mean : 12.849 | Mean : 21.447 | Mean :14.563 | Mean : 11.795 | Mean : 16.148 | Mean : 8.548 | Mean : 18.181 | Mean : 16.287 | Mean : 12.830 | Mean : 9.056 | Mean : 20.382 | Mean : 23.016 | Mean :15.835 | Mean : 20.793 | Mean : 11.157 | Mean : 15.494 | Mean : 21.910 | Mean :1.706 | Mean : 18.958 | Mean : 19.360 | Mean : 11.672 | NA | NA | NA | Mean :0.2 | Mean :1.9 | Mean :1.4 | Mean :1 | Mean :2.1371 | Mean : 7.380e-11 | Mean :0.12873 | Mean :0.0193162 | Mean : -0.70146 | Mean : 2.70506 | Mean :2.8 | Mean :4.05 | Mean :0.5 | |
| NA | NA | NA | NA | NA | NA | NA | 3rd Qu.:0.85816 | 3rd Qu.:0.00000 | 3rd Qu.:0.817474 | 3rd Qu.:0.0000 | 3rd Qu.: 8.000 | 3rd Qu.: 8.000 | 3rd Qu.: 8.000 | 3rd Qu.: 53.00 | 3rd Qu.: 52.00 | 3rd Qu.: 4.000 | 3rd Qu.:0.0000 | 3rd Qu.: 4.000 | 3rd Qu.:0.0000 | 3rd Qu.: 8.000 | 3rd Qu.: 53.00 | 3rd Qu.: 4.000 | 3rd Qu.:0.0000 | 3rd Qu.: 4.000 | 3rd Qu.:0.0000 | NA | 3rd Qu.: 0.0000 | 3rd Qu.: 21.00 | 3rd Qu.: 0.00000 | 3rd Qu.: 0.00000 | 3rd Qu.: 0.00 | 3rd Qu.: 0.0000 | 3rd Qu.: 0.0000 | 3rd Qu.:1.929 | 3rd Qu.: 0.0000 | 3rd Qu.: 0.000 | 3rd Qu.: 0.000 | 3rd Qu.: 24.0 | 3rd Qu.: 11.000 | 3rd Qu.: 0.000 | 3rd Qu.: 0.000 | 3rd Qu.: 0.0000 | 3rd Qu.: 0.00 | 3rd Qu.: 0.000 | 3rd Qu.: 0.0000 | 3rd Qu.:0.0000000 | 3rd Qu.: 1.000 | 3rd Qu.: 0.000 | 3rd Qu.: 2.000 | 3rd Qu.: 0.0000 | 3rd Qu.:0.33333 | 3rd Qu.: 0.000 | 3rd Qu.: 0.00000 | 3rd Qu.:0.0000 | 3rd Qu.: 3.000 | 3rd Qu.: 21.00 | 3rd Qu.: 1.000 | 3rd Qu.:2.000 | 3rd Qu.: 25.00 | 3rd Qu.: 0.0000 | 3rd Qu.: 0.00000 | 3rd Qu.: 11.000 | 3rd Qu.: 2.000 | 3rd Qu.: 506.16 | 3rd Qu.: 13.9919 | 3rd Qu.:0.0295584 | 3rd Qu.:0.1482300 | 3rd Qu.:0 | 3rd Qu.: 1.54141 | 3rd Qu.: 11.499 | 3rd Qu.:0.265326 | 3rd Qu.: 0.0160 | 3rd Qu.: 5.000 | 3rd Qu.:0.00000 | 3rd Qu.:0.0000 | 3rd Qu.: 3.000 | 3rd Qu.: 3.000 | 3rd Qu.: 58 | 3rd Qu.: 58 | 3rd Qu.: 23.14 | 3rd Qu.: 13.688 | 3rd Qu.:0.7325 | 3rd Qu.:0.25057 | 3rd Qu.: 1.5414 | 3rd Qu.: 11.499 | 3rd Qu.:0.2497 | 3rd Qu.: 1.000 | 3rd Qu.: 222776 | 3rd Qu.:1.219e+10 | 3rd Qu.:1.840e+14 | 3rd Qu.:4.378e+11 | 3rd Qu.:0.5077 | 3rd Qu.:0.05140 | 3rd Qu.:0.001259 | 3rd Qu.: 0.01919 | 3rd Qu.:2.729e+07 | 3rd Qu.:1.053e+14 | 3rd Qu.:3.428e+14 | 3rd Qu.:2.496e+11 | 3rd Qu.:9.821e+10 | 3rd Qu.:2.829e+12 | 3rd Qu.: 0.41714 | 3rd Qu.: 0.01829 | 3rd Qu.: 0.095 | 3rd Qu.: 0.01194 | 3rd Qu.: 0.00574 | 3rd Qu.: 0.1125 | 3rd Qu.: 2893 | 3rd Qu.: 0.54970 | 3rd Qu.:0.432944 | 3rd Qu.:0.666687 | 3rd Qu.:0.77656 | 3rd Qu.: 7.471 | 3rd Qu.: 4.3177 | 3rd Qu.: 3.2009 | 3rd Qu.: 99348 | 3rd Qu.:2.495e+09 | 3rd Qu.:1.760e+13 | 3rd Qu.: 9.681e+10 | 3rd Qu.: 0.82832 | 3rd Qu.: 0.145372 | 3rd Qu.: 0.006220 | 3rd Qu.: 0.0760 | 3rd Qu.:1.130e+07 | 3rd Qu.:1.766e+13 | 3rd Qu.:6.022e+13 | 3rd Qu.: 6.384e+10 | 3rd Qu.:3.303e+10 | 3rd Qu.:5.109e+11 | 3rd Qu.: 1.1456 | 3rd Qu.: 0.145 | 3rd Qu.: 0.7 | 3rd Qu.: 0.0517 | 3rd Qu.: 0.0293 | 3rd Qu.: 0.491 | 3rd Qu.: 1711.02 | 3rd Qu.: 0.58657 | 3rd Qu.:0.444307 | 3rd Qu.:0.673730 | 3rd Qu.:0.78299 | 3rd Qu.: 7.136 | 3rd Qu.: 4.0184 | 3rd Qu.: 2.9673 | 3rd Qu.: 38.379 | 3rd Qu.: 26.280 | 3rd Qu.: 15.7175 | 3rd Qu.: 26.562 | 3rd Qu.: 15.2914 | 3rd Qu.: 34.36 | 3rd Qu.: 30.154 | 3rd Qu.: 24.402 | 3rd Qu.: 15.28552 | 3rd Qu.: 37.266 | 3rd Qu.: 43.597 | 3rd Qu.: 28.660 | 3rd Qu.: 39.490 | 3rd Qu.: 18.4469 | 3rd Qu.: 28.962 | 3rd Qu.: 42.160 | 3rd Qu.:1.6084 | 3rd Qu.: 36.779 | 3rd Qu.: 34.144 | 3rd Qu.: 22.04187 | 3rd Qu.: 28.504 | 3rd Qu.: 20.2108 | 3rd Qu.: 13.8881 | 3rd Qu.: 21.320 | 3rd Qu.:11.2028 | 3rd Qu.: 25.248 | 3rd Qu.: 24.9782 | 3rd Qu.: 17.236 | 3rd Qu.: 14.31107 | 3rd Qu.: 27.9495 | 3rd Qu.: 33.2651 | 3rd Qu.: 23.3165 | 3rd Qu.: 30.8270 | 3rd Qu.: 14.7864 | 3rd Qu.: 22.009 | 3rd Qu.: 31.5509 | 3rd Qu.:1.6037 | 3rd Qu.: 28.1800 | 3rd Qu.: 26.040 | 3rd Qu.: 19.20835 | 3rd Qu.: 37.0 | 3rd Qu.: 37.0 | 3rd Qu.: 17.576 | 3rd Qu.: 11.894 | 3rd Qu.:0.8005 | 3rd Qu.:0.2393 | 3rd Qu.: 1.5414 | 3rd Qu.: 11.499 | 3rd Qu.:0.23307 | 3rd Qu.: 1.000 | 3rd Qu.: 139561 | 3rd Qu.:4.895e+09 | 3rd Qu.:4.760e+13 | 3rd Qu.:1.373e+11 | 3rd Qu.: 0.533 | 3rd Qu.: 0.054 | 3rd Qu.:0.001 | 3rd Qu.: 0.024 | 3rd Qu.:1.424e+07 | 3rd Qu.:2.850e+13 | 3rd Qu.:9.183e+13 | 3rd Qu.:8.106e+10 | 3rd Qu.:3.274e+10 | 3rd Qu.:9.089e+11 | 3rd Qu.: 0.476 | 3rd Qu.: 0.021 | 3rd Qu.: 0.13 | 3rd Qu.: 0.016 | 3rd Qu.: 0.008 | 3rd Qu.: 0.138 | 3rd Qu.: 2215 | 3rd Qu.: 0.392 | 3rd Qu.:0.465 | 3rd Qu.:0.685 | 3rd Qu.:0.791 | 3rd Qu.: 6.857 | 3rd Qu.: 3.920 | 3rd Qu.: 2.972 | 3rd Qu.: 73651 | 3rd Qu.:1.408e+09 | 3rd Qu.:7.678e+12 | 3rd Qu.: 4.183e+10 | 3rd Qu.: 0.801 | 3rd Qu.: 0.132 | 3rd Qu.: 0.005 | 3rd Qu.: 0.071 | 3rd Qu.:6.918e+06 | 3rd Qu.:6.711e+12 | 3rd Qu.:2.217e+13 | 3rd Qu.: 2.809e+10 | 3rd Qu.:1.448e+10 | 3rd Qu.:2.266e+11 | 3rd Qu.: 1.094 | 3rd Qu.: 0.12 | 3rd Qu.: 0.7 | 3rd Qu.: 0.050 | 3rd Qu.: 0.030 | 3rd Qu.: 0.46 | 3rd Qu.: 1499.723 | 3rd Qu.: 0.407 | 3rd Qu.:0.473 | 3rd Qu.:0.691 | 3rd Qu.:0.796 | 3rd Qu.: 6.583 | 3rd Qu.: 3.654 | 3rd Qu.: 2.770 | 3rd Qu.: 32.15 | 3rd Qu.: 22.995 | 3rd Qu.: 13.443 | 3rd Qu.: 22.034 | 3rd Qu.: 13.339 | 3rd Qu.: 29.009 | 3rd Qu.: 24.959 | 3rd Qu.: 21.179 | 3rd Qu.: 13.048 | 3rd Qu.: 31.755 | 3rd Qu.: 36.688 | 3rd Qu.: 24.440 | 3rd Qu.: 32.915 | 3rd Qu.: 15.883 | 3rd Qu.: 24.281 | 3rd Qu.: 35.563 | 3rd Qu.:1.767 | 3rd Qu.: 30.554 | 3rd Qu.: 28.257 | 3rd Qu.: 18.266 | 3rd Qu.: 25.322 | 3rd Qu.:18.922 | 3rd Qu.: 12.232 | 3rd Qu.: 18.686 | 3rd Qu.:10.302 | 3rd Qu.: 22.661 | 3rd Qu.: 21.902 | 3rd Qu.: 15.868 | 3rd Qu.: 12.319 | 3rd Qu.: 25.733 | 3rd Qu.: 29.776 | 3rd Qu.: 21.290 | 3rd Qu.: 27.358 | 3rd Qu.: 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| NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA’s :1 | NA | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA’s :7 | NA | NA | NA | NA | NA | NA | NA | NA | NA’s :6 | NA | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA’s :3393 | NA | NA | NA | NA | NA | NA | NA | NA | NA’s :12 | NA | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA’s :23915 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
Do obliczenia korelacji użytko funkcji >cor< z parametrem >use = “pairwise.complete.obs<, który ignoruje w obliczeniach korelacji dla danej pary wartości NA.
Podczas obliczania korelacji zauważono, że dla wszystkich kolumn part_XX jest ona bardzo podobna. W przedstawionej graficznej reprezentacji korelacji zabrano zmienne z part_01, by ograniczyć liczbę danych. Poza kolumnami part_01 w macierzy widzimy kolumy local_res_atom_non_h_electron_sum, local_res_atom_non_h_count, solvent_mask_count, void_mask_count, modeled_mask_count, solvent_ratio. Wybrano takie kolumny, ponieważ te kolumny będą brały w wyznaczaniu klasyfikatora.
Zmienne zostały posortowane wg algorytmu “FPC” (First Principal Component).
correlation_data <- cor(data, use = "pairwise.complete.obs")
corrplot(correlation_data, method = "color", tl.cex = 0.4, order = "FPC", tl.col="black")
| count | class |
|---|---|
| 1587 | SAH |
| 1589 | GDP |
| 1594 | PLP |
| 1596 | NO3 |
| 1602 | FE |
| 1609 | ACY |
| 1637 | NI |
| 1647 | SF4 |
| 1656 | TRS |
| 1905 | PGE |
| 1917 | HEC |
| 1933 | EPE |
| 2084 | FMN |
| 2106 | NDP |
| 2127 | BR |
| 2136 | 1PE |
| 2183 | COA |
| 2296 | ATP |
| 2353 | CU |
| 2697 | MES |
| 2768 | PG4 |
| 2841 | MAN |
| 2918 | FMT |
| 3221 | MPD |
| 3242 | CD |
| 3505 | NAP |
| 3509 | MLY |
| 3819 | ADP |
| 4215 | MN |
| 4501 | NAD |
| 4555 | FAD |
| 4706 | K |
| 4784 | CLA |
| 4987 | PEG |
| 6317 | IOD |
| 6633 | DMS |
| 8096 | ACT |
| 9613 | NA |
| 11090 | PO4 |
| 11192 | HEM |
| 14779 | MG |
| 19826 | ZN |
| 21038 | CA |
| 23223 | CL |
| 26360 | NAG |
| 30825 | EDO |
| 40606 | GOL |
| 56572 | SO4 |
| res_name | local_res_atom_non_h_count | dict_atom_non_h_count | odds |
|---|---|---|---|
| NAG | 369564 | 395400 | 25836 |
| CLA | 285867 | 310960 | 25093 |
| 1PE | 28487 | 34176 | 5689 |
| MLY | 37453 | 42108 | 4655 |
| NAP | 163742 | 168240 | 4498 |
| COA | 100779 | 104784 | 4005 |
| NAD | 194945 | 198044 | 3099 |
| PG4 | 33094 | 35984 | 2890 |
| MAN | 31551 | 34092 | 2541 |
| NDP | 99007 | 101088 | 2081 |
| res_name | local_res_atom_non_h_electron_sum | dict_atom_non_h_electron_sum | odds |
|---|---|---|---|
| NAG | 2508452 | 2715080 | 206628 |
| CLA | 1809084 | 1961440 | 152356 |
| 1PE | 191894 | 230688 | 38794 |
| MLY | 238696 | 273702 | 35006 |
| NAP | 1217531 | 1247780 | 30249 |
| COA | 764523 | 794612 | 30089 |
| NAD | 1406030 | 1426817 | 20787 |
| MAN | 218316 | 238644 | 20328 |
| PG4 | 224042 | 243584 | 19542 |
| NDP | 735538 | 749736 | 14198 |
Sekcja przedstawia rozkład wartości wszystkich kolumn zaczynających się od part_01
Usunięto wartości NA dla każdej kolumny z osobna. Nie zostały zamienione na wartość 0 by nie zaburzać rozkładu zmiennych.
Na wykresach zaznaczono średnią wartość zmiennej (w formie graficznej oraz liczbowej).
ggplotly(qplot(local_res_atom_non_h_electron_sum, data=pdb_code_res_name))
## `stat_bin()` using `bins = 30`. Pick better value with `binwidth`.
lm_data <- rawData
lm_data[is.na(lm_data)] <- 0
lm_data <- dplyr::select_if(lm_data, is.numeric)
lm_atom_model <- lm(local_res_atom_non_h_count ~ ., lm_data)
lm_atom_summary <- summary(lm_atom_model)
lm_electron_model <- lm(local_res_atom_non_h_electron_sum ~ ., lm_data)
lm_electron_summary <- summary(lm_electron_model)
Miary dla liczby atomów:
R^2: 0.9999915
RMSEL 0.0390963
Miary dla liczby elektronów:
R^2: 0.9999877
RMSEL 0.3168246